Information card for entry 7123380

Structure parameters

• Formula: C8 H6 B F5 N2
• Calculated formula: C8 H6 B F5 N2
• Title of publication: The pentafluoroethyltrihydridoborate anion: From shock sensitive salts to stable room temperature ionic liquids
• Authors of publication: Hennig, Philipp T.; Sprenger, Jan Arke Peter; Schneider, Leon; Ignat'ev, Nikolai; Finze, Maik
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.7492 ± 0.001 Å
• b: 8.9386 ± 0.0009 Å
• c: 22.528 ± 0.003 Å
• α: 90°
• β: 93.546 ± 0.003°
• γ: 90°
• Cell volume: 1959.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No